Crystallography Open Database
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Searching space group like 'P n a 21'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1506910 | CIF | C22 H39 N O2 Si2 | P n a 21 | 21.838; 9.844; 12.235 90; 90; 90 | 2630.2 | Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates. Organic letters, 2004, 6, 783-786 |
| 1507047 | CIF | C26 H28 O5 | P n a 21 | 11.4843; 23.5263; 8.0456 90; 90; 90 | 2173.79 | Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R. A new family of macrocycles produced by sequential Claisen-Schmidt condensations. Organic letters, 2004, 6, 3257-3259 |
| 1507146 | CIF | C20 H18 O2 | P n a 21 | 9.947; 20.244; 7.9602 90; 90; 90 | 1602.9 | Yuan, Feng-Quan; Han, Fu-She Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade. Organic letters, 2012, 14, 1218-1221 |
| 1507187 | CIF | C16 H10 S | P n a 21 | 12.2001; 25.9168; 7.495 90; 90; 90 | 2369.83 | Koch, Michael; Blacque, Olivier; Venkatesan, Koushik Syntheses and tunable emission properties of 2-alkynyl azulenes. Organic letters, 2012, 14, 1580-1583 |
| 1507285 | CIF | C21 H20 N2 O2 S | P n a 21 | 15.107; 6.18; 19.739 90; 90; 90 | 1842.9 | Benati, Luisa; Calestani, Gianluca; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Strazzari, Samantha Generation and intramolecular reactivity of acyl radicals from alkynylthiol esters under reducing tin-free conditions. Organic letters, 2003, 5, 1313-1316 |
| 1507315 | CIF | C6 H11 N S7 | P n a 21 | 12.099; 7.654; 14.849 90; 90; 90 | 1375.1 | Konstantinova, Lidia S.; Rakitin, Oleg A.; Rees, Charles W.; Souvorova, Ljudmila I.; Golovanov, Denis G.; Lyssenko, Konstantin A. Unprecedented conversion of triethylamine and disulfur dichloride into a thienopentathiepin and a heptathiocane. Organic letters, 2003, 5, 1939-1942 |
| 1507354 | CIF | C15 H21 N O2 | P n a 21 | 12.556; 9.61; 10.967 90; 90; 90 | 1323.3 | Chao, Wenchun; Waldman, Jacob H.; Weinreb, Steven M. Studies of intramolecular cyclizations of N-acyliminium ions derived from acyclic ketones: unanticipated stereochemical and structural results. Organic letters, 2003, 5, 2915-2918 |
| 1507376 | CIF | C28 H25 N3 O4 | P n a 21 | 26.465; 9.181; 9.973 90; 90; 90 | 2423.2 | Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P. A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines. Organic letters, 2003, 5, 3923-3926 |
| 1507411 | CIF | C72 H104 N6 O10 S2 | P n a 21 | 23.8484; 20.3212; 15.0907 90; 90; 90 | 7313.4 | Tumcharern, Gamolwan; Tuntulani, Thawatchai; Coles, Simon J.; Hursthouse, Michael B.; Kilburn, Jeremy D. A novel ditopic receptor and reversal of anion binding selectivity in the presence and absence of bound cation. Organic letters, 2003, 5, 4971-4974 |
| 1507928 | CIF | C44 H35 Cl Fe Ir N O4 P2 | P n a 21 | 17.8247; 11.4245; 35.8766 90; 90; 90 | 7305.8 | Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J. Iridium-catalysed direct C-C coupling of methanol and allenes. Nature chemistry, 2011, 3, 287-290 |
| 1507973 | CIF | C16 H25 B10 Cl2 P Pt S | P n a 21 | 14.2619; 11.1469; 15.0388 90; 90; 90 | 2390.81 | Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry, 2011, 3, 590-596 |
| 1508225 | CIF | C16 H21 B F4 Fe N2 O2 | P n a 21 | 17.084; 13.9877; 7.6984 90; 90; 90 | 1839.65 | Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D. Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4 Inorganica Chimica Acta, 2012, 390, 83-94 |
| 1508260 | CIF | C24 H16 N2 | P n a 21 | 19.5; 6.929; 26.031 90; 90; 90 | 3517 | Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission The Journal of Physical Chemistry C, 2012, 116, 15146 |
| 1508372 | CIF | C14 H9 F N2 O S | P n a 21 | 22.43; 8.1478; 13.522 90; 90; 90 | 2471.2 | Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 254-259 |
| 1508479 | CIF | C15 H15 N O S | P n a 21 | 9.208; 14.0485; 10.3826 90; 90; 90 | 1343.08 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 1508600 | CIF | C26 H16 N O3 | P n a 21 | 11.4787; 12.459; 27.785 90; 90; 90 | 3973.6 | Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones. Organic letters, 2012, 14, 4994-4997 |
| 1508676 | CIF | C19 H19 B F2 N4 O | P n a 21 | 13.339; 18.975; 6.8571 90; 90; 90 | 1735.6 | Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes. Organic letters, 2012, 14, 5226-5229 |
| 1508880 | CIF | C69 H78 F12 Fe2 N2 O15 P2 | P n a 21 | 21.8315; 10.7382; 29.5987 90; 90; 90 | 6938.9 | Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry. Organic letters, 2013, 15, 534-537 |
| 1509215 | CIF | Ag Al O2 | P n a 21 | 5.4306; 6.9802; 5.3751 90; 90; 90 | 203.752 | Li, J.; Sleight, A.W. Structure of beta - Ag Al O2 and structural systematics of tetrahedral M M' X2 compounds Journal of Solid State Chemistry, 2004, 177, 889-894 |
| 1509336 | CIF | Ag Fe O6 Se2 | P n a 21 | 13.975; 5.249; 7.609 90; 90; 90 | 558.156 | Giester, G. Syntheses and crystal structures of the new compounds Ba Fe2 (Se O3)4, Ag Fe (Se O3)2 and Rb Fe (Se O4) (Se O3) Journal of Alloys Compd., 2000, 308, 71-76 |
| 1509403 | CIF | Ag In S2 | P n a 21 | 6.9972; 8.2733; 6.6939 90; 90; 90 | 387.509 | Delgado, G.; Pineda, C.; Mora, A.J.; Tinoco, T. Simultaneous Rietveld refinement of three phases in the Ag-In-S semiconducting system from x-ray powder diffraction Materials Research Bulletin, 2001, 36, 2507-2517 |
| 1509501 | CIF | Ag O5 Sb Si | P n a 21 | 12.832; 6.331; 10.727 90; 90; 90 | 871.455 | Belokoneva, E.L.; Mill', B.V. Crystal structures of beta-NaSbOGeO4 and AgSbOSiO4 and migration paths of ions in structures of KTiOPO4 type Zhurnal Neorganicheskoi Khimii, 1994, 39, 355-362 |
| 1509876 | CIF | Ag4 I2 O4 Se | P n a 21 | 9.35141; 13.1552; 7.0866 90; 90; 90 | 871.791 | Pitzschke, D.; Cakmak, G.; Curda, J.; Jansen, M. Ag4 I2 Se O4 and Ag3 I Te O4 - two new silver solid electrolytes Zeitschrift fuer Anorganische und Allgemeine Chemie, 2008, 634, 1071-1076 |
| 1509986 | CIF | Ag8 S6 Sn | P n a 21 | 15.298; 7.548; 10.699 90; 90; 90 | 1235.41 | Wang, N. New data for Ag8 Sn S6 (canfieldite) and Ag8 Ge S6 (argyrodite) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1978, 1978, 269-272 |
| 1509988 | CIF | Ag8 S6 Ti | P n a 21 | 15.095; 7.462; 10.641 90; 90; 90 | 1198.59 | Sato, A.; Ishii, M.; Adams, S.; Tansho, M.; Wada, H.; Onoda, M. Phase transition and crystal structure of silver-ion conductor Ag12-n M(+n) S6 (M = Ti, Nb, Na) Solid State Ionics, 2002, 154, 723-727 |
| 1511337 | CIF | B1.14 F0.58 Mg2 O3.42 | P n a 21 | 20.44; 4.53; 11.8 90; 90; 90 | 1092.6 | Nikishova, L.V.; Brovkin, A.A. The crystal structure of alpha-Mg2 B O3 F and the isomorphic substitution (3F)3 - (B O3)(3-) Kristallografiya, 1975, 20, 740-745 |
| 1511766 | CIF | C11 H24 Cl2 N2 O12 Ru | P n a 21 | 18.571; 7.464; 14.617 90; 90; 90 | 2026.1 | Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound Metal Based Drugs, 1995, 2, 211-219 |
| 1511826 | CIF | C26 H25 N9 O2 | P n a 21 | 12.4315; 25.1447; 7.779 90; 90; 90 | 2431.61 | Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity The Journal of Physical Chemistry A, 2013, 117, 3614 |
| 1511876 | CIF | C38 H32 | P n a 21 | 29.183; 9.2281; 20.653 90; 90; 90 | 5561.9 | Fix, Aaron G.; Deal, Parker E.; Vonnegut, Chris L.; Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M. Indeno[2,1-c]fluorene: a new electron-accepting scaffold for organic electronics. Organic letters, 2013, 15, 1362-1365 |
| 1511884 | CIF | C17 H14 Cl N O | P n a 21 | 12.5875; 17.8684; 6.0173 90; 90; 90 | 1353.4 | Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B. Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles. Organic letters, 2013, 15, 1350-1353 |
| 1511940 | CIF | C20 H21 Cl N2 O2 | P n a 21 | 12.492; 12.566; 11.401 90; 90; 90 | 1789.7 | Soeta, Takahiro; Tabatake, Yuhta; Fujinami, Shuhei; Ukaji, Yutaka N-Heterocyclic Carbene Catalyzed Oxidative Coupling of Aldehydes with Carbodiimides under Aerobic Conditions: Efficient Synthesis ofN-Acylureas Organic Letters, 2013, 15, 2088 |
| 1511952 | CIF | C42 H39 O7.5 P2 S4.5 | P n a 21 | 17.7602; 10.5542; 21.7285 90; 90; 90 | 4072.9 | Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters, 2013, 15, 2179 |
| 1511979 | CIF | C19 H18 N2 O | P n a 21 | 15.399; 10.82; 9.613 90; 90; 90 | 1601.7 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511980 | CIF | C19 H18 N2 O | P n a 21 | 15.393; 10.798; 9.5855 90; 90; 90 | 1593.2 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511981 | CIF | C19 H18 N2 O | P n a 21 | 15.3711; 10.7478; 9.5826 90; 90; 90 | 1583.1 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511983 | CIF | C3 H4 N2 | P n a 21 | 7.054; 12.84; 8.232 90; 90; 90 | 745.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511984 | CIF | C3 H4 N2 | P n a 21 | 6.971; 12.783; 8.247 90; 90; 90 | 734.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511985 | CIF | C3 H4 N2 | P n a 21 | 6.8805; 12.6682; 8.209 90; 90; 90 | 715.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511994 | CIF | C3 H4 N2 | P n a 21 | 6.8012; 12.5689; 8.2278 90; 90; 90 | 703.34 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511995 | CIF | C3 H4 N2 | P n a 21 | 6.8045; 12.5768; 8.2278 90; 90; 90 | 704.13 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511996 | CIF | C3 H4 N2 | P n a 21 | 6.8163; 12.5868; 8.2275 90; 90; 90 | 705.88 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511997 | CIF | C3 H4 N2 | P n a 21 | 6.8245; 12.5972; 8.2273 90; 90; 90 | 707.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511998 | CIF | C3 H4 N2 | P n a 21 | 6.8306; 12.6103; 8.2284 90; 90; 90 | 708.76 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511999 | CIF | C3 H4 N2 | P n a 21 | 6.8442; 12.6228; 8.2283 90; 90; 90 | 710.87 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512000 | CIF | C3 H4 N2 | P n a 21 | 6.8508; 12.6373; 8.2299 90; 90; 90 | 712.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512001 | CIF | C3 H4 N2 | P n a 21 | 6.8614; 12.65; 8.2274 90; 90; 90 | 714.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512002 | CIF | C3 H4 N2 | P n a 21 | 6.8794; 12.6652; 8.2302 90; 90; 90 | 717.09 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512003 | CIF | C3 H4 N2 | P n a 21 | 6.8902; 12.6822; 8.2327 90; 90; 90 | 719.4 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512004 | CIF | C3 H4 N2 | P n a 21 | 6.903; 12.6968; 8.2321 90; 90; 90 | 721.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512005 | CIF | C3 H4 N2 | P n a 21 | 6.9155; 12.7076; 8.2322 90; 90; 90 | 723.44 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512006 | CIF | C3 H4 N2 | P n a 21 | 6.9234; 12.7234; 8.2337 90; 90; 90 | 725.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512007 | CIF | C3 H4 N2 | P n a 21 | 6.9397; 12.7371; 8.2303 90; 90; 90 | 727.49 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512008 | CIF | C3 H4 N2 | P n a 21 | 6.9533; 12.7634; 8.2281 90; 90; 90 | 730.23 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512009 | CIF | C3 H4 N2 | P n a 21 | 6.9692; 12.7818; 8.2245 90; 90; 90 | 732.63 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512010 | CIF | C3 H4 N2 | P n a 21 | 6.9782; 12.798; 8.2237 90; 90; 90 | 734.43 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512011 | CIF | C3 H4 N2 | P n a 21 | 6.9934; 12.8124; 8.2255 90; 90; 90 | 737.02 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512012 | CIF | C3 H4 N2 | P n a 21 | 7.01; 12.831; 8.2285 90; 90; 90 | 740.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512013 | CIF | C3 H4 N2 | P n a 21 | 7.0252; 12.8396; 8.2185 90; 90; 90 | 741.31 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512014 | CIF | C3 H4 N2 | P n a 21 | 7.0396; 12.8637; 8.22 90; 90; 90 | 744.36 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512015 | CIF | C3 H4 N2 | P n a 21 | 7.0814; 12.8818; 8.2503 90; 90; 90 | 752.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512110 | CIF | C30 H23 N3 O | P n a 21 | 36.9495; 10.683; 5.611 90; 90; 90 | 2214.84 | Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones. Organic letters, 2013, 15, 2842-2845 |
| 1512208 | CIF | C15 H12 O3 | P n a 21 | 22.827; 4.0137; 13.1725 90; 90; 90 | 1206.87 | Rout, Saroj Kumar; Guin, Srimanta; Banerjee, Arghya; Khatun, Nilufa; Gogoi, Anupal; Patel, Bhisma K. Directing group assisted copper-catalyzed chemoselective o-aroylation of phenols and enols using alkylbenzenes. Organic letters, 2013, 15, 4106-4109 |
| 1512231 | CIF | C20 H19 N O2 | P n a 21 | 9.513; 18.292; 9.488 90; 90; 90 | 1651 | Li, Mengru; Lin, Shaoxia; Dong, Zhiyong; Zhang, Xintong; Liang, Fushun; Zhang, Jingping Organocatalyzed anion relay leading to functionalized 2,3-dihydrofurans. Organic letters, 2013, 15, 3978-3981 |
| 1512397 | CIF | C23 H22 N2 O3 Pd S | P n a 21 | 16.2065; 9.4982; 14.2443 90; 90; 90 | 2192.66 | Luciano Canovesea; Fabiano Visentina; Carlo Levia; Claudio Santoa; Valerio Bertolasib The interaction between heteroditopic pyridine-nitrogen NHC with novel sulfur NHC ligands in palladium(0) derivatives: Synthesis and structural characterization of a bis-carbene palladium(0) olefin complex and formation in solution of an alkene-alkyne mixed intermediate as a consequence of the ligands hemilability Inorganica Chimica Acta, 2012, 390, 105-118 |
| 1512428 | CIF | C48 H32 N8 O10 Zn2 | P n a 21 | 19.0056; 9.6048; 23.971 90; 90; 90 | 4375.8 | Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate Inorganica Chimica Acta, 2012, 392, 16-24 |
| 1512455 | CIF | C48 H34 N4 O14 Zn2 | P n a 21 | 14.207; 23.962; 12.772 90; 90; 90 | 4348 | Lian-Jie Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Qiang Fu Syntheses, characterization and crystal structure of d10 coordination architectures: From 1D to 3D complexes based on mixed ligands Inorganica Chimica Acta, 2012, 392, 77-83 |
| 1512917 | CIF | C16 H11 F9 N2 O6 Sr | P n a 21 | 18.967; 14.068; 8.31 90; 90; 90 | 2217 | Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives Polyhedron, 2007, 26, 5095-5103 |
| 1512927 | CIF | C5 H15 Br3 La O5 | P n a 21 | 12.3556; 9.9655; 12.5633 90; 90; 90 | 1546.9 | Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron, 2010, 29, 1784-1795 |
| 1513017 | CIF | C31 H37 Cu N7 O10 | P n a 21 | 13.2675; 10.2369; 24.371 90; 90; 90 | 3310 | Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes Inorganica Chimica Acta, 2013, 397, 32-37 |
| 1513018 | CIF | C31 H37 N7 Ni O10 | P n a 21 | 13.169; 10.2444; 24.607 90; 90; 90 | 3319.7 | Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes Inorganica Chimica Acta, 2013, 397, 32-37 |
| 1513019 | CIF | C31 H37 Co N7 O10 | P n a 21 | 13.1567; 10.2929; 24.723 90; 90; 90 | 3348 | Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes Inorganica Chimica Acta, 2013, 397, 32-37 |
| 1513130 | CIF | C15 H14 O2 | P n a 21 | 16.7078; 7.0015; 20.3649 90; 90; 90 | 2382.3 | Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems Organic Letters, 2013, 15, 5970 |
| 1513132 | CIF | C19 H18 | P n a 21 | 15.9505; 14.6663; 5.851 90; 90; 90 | 1368.75 | Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems Organic Letters, 2013, 15, 5970 |
| 1513401 | CIF | C81 H108 F15 N15 O9 | P n a 21 | 41.2339; 13.6303; 15.0005 90; 90; 90 | 8430.7 | Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor. Organic letters, 2014, 16, 366-369 |
| 1513402 | CIF | C81 H108 F15 N15 O9 | P n a 21 | 41.238; 13.6194; 14.9845 90; 90; 90 | 8415.8 | Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor. Organic letters, 2014, 16, 366-369 |
| 1513450 | CIF | C22 H33 Cu N P | P n a 21 | 18.6292; 9.3181; 12.5012 90; 90; 90 | 2170.1 | Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates. Organic letters, 2014, 16, 1264-1267 |
| 1513619 | CIF | C62 H106 Mg2 N6 Na4 | P n a 21 | 16.9437; 16.1245; 23.5059 90; 90; 90 | 6422 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513640 | CIF | C60 H62 N2 O6 | P n a 21 | 22.956; 9.4115; 22.7754 90; 90; 90 | 4920.6 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513678 | CIF | C14 H25 Cl2 F3 N O4 P S | P n a 21 | 17.333; 8.3372; 14.4037 90; 90; 90 | 2081.5 | Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science, 2014, 5, 1064 |
| 1513757 | CIF | C23 H18 N2 | P n a 21 | 15.5952; 13.4176; 8.2215 90; 90; 90 | 1720.35 | Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 211-223 |
| 1513774 | CIF | C16 H27 N O2 | P n a 21 | 20.4107; 8.6349; 16.7557 90; 90; 90 | 2953.1 | McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey Probing chemical space with alkaloid-inspired libraries. Nature chemistry, 2014, 6, 133-140 |
| 1513805 | CIF | C64 H90 N4 O34 S4 | P n a 21 | 31.15; 16.287; 14.681 90; 90; 90 | 7448 | Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B, 2014, 118, 2433-2441 |
| 1513910 | CIF | C19 H26 Cl N O5 | P n a 21 | 15.833; 10.199; 11.895 90; 90; 90 | 1920.8 | Ghavimi, Bahman; Magnus, Philip Total synthesis of 8,14-dihydromorphinandienone alkaloids. Organic letters, 2014, 16, 1708-1711 |
| 1514333 | CIF | C24 H25 N3 O2 | P n a 21 | 48.93; 5.783; 7.453 90; 90; 90 | 2108.9 | Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives The Journal of Physical Chemistry C, 2014, 118, 8531 |
| 1514374 | CIF | C13 H12 N2 O4 Pd | P n a 21 | 10.919; 23.8725; 4.8372 90; 90; 90 | 1260.88 | Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology, 2014, 4, 2526 |
| 1514695 | CIF | C20 H27 N O4 | P n a 21 | 16.349; 11.424; 20.499 90; 90; 90 | 3828.6 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
| 1514713 | CIF | C16 H11 N O S | P n a 21 | 23.0013; 5.0777; 11.154 90; 90; 90 | 1302.72 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
| 1514894 | CIF | C76 H68 N2 O2 | P n a 21 | 18.951; 14.595; 20.257 90; 90; 90 | 5603 | Brulé, Emilie; Guérineau, Vincent; Vermaut, Philippe; Prima, Frédéric; Balogh, Janos; Maron, Laurent; Slawin, Alexandra M. Z.; Nolan, Steven P.; Thomas, Christophe M. Polymerization of cyclic esters using N-heterocyclic carbene carboxylate catalysts Polymer Chemistry, 2013, 4, 2414 |
| 1515129 | CIF | C57.5 H82.5 Li2 N5.5 O0.5 Ti | P n a 21 | 18.4575; 16.9731; 17.726 90; 90; 90 | 5553.22 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
| 1515182 | CIF | C18 H16 O2 | P n a 21 | 19.372; 5.761; 24.488 90; 90; 90 | 2733 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
| 1515328 | CIF | C34 H42 Cl2 N2 | P n a 21 | 11.276; 12.1; 20.803 90; 90; 90 | 2838.4 | Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2012, 11, 908-913 |
| 1515495 | CIF | C38 H56 Lu2 N2 | P n a 21 | 21.9504; 8.4448; 18.7468 90; 90; 90 | 3475 | Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J. (C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn Chemical Science, 2011, 2, 1992 |
| 1515576 | CIF | C21 H22 O2 | P n a 21 | 18.0449; 16.5511; 5.3798 90; 90; 90 | 1606.75 | Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P. Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2115-2119 |
| 1516060 | CIF | C16 H20 N2 O3 | P n a 21 | 40.076; 5.5575; 13.021 90; 90; 90 | 2900.1 | Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849 |
| 1516068 | CIF | C19 H26 N2 O | P n a 21 | 13.7232; 14.9269; 7.6655 90; 90; 90 | 1570.24 | Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A. Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine. Organic letters, 2012, 14, 5621-5623 |
| 1516116 | CIF | C24 H32 N2 O4 | P n a 21 | 8.6828; 21.4082; 11.2277 90; 90; 90 | 2087.04 | Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535 |
| 1516244 | CIF | C29 H28 O Si | P n a 21 | 17.088; 10.053; 13.654 90; 90; 90 | 2345.6 | Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480 |
| 1516415 | CIF | C7 H14 F6 N2 O5 S2 | P n a 21 | 9.657; 11.141; 14.651 90; 90; 90 | 1576 | Nockemann, Peter; Binnemans, Koen; Thijs, Ben; Parac-Vogt, Tatjana N; Merz, Klaus; Mudring, Anja-Verena; Menon, Preethy Chirukandath; Rajesh, Ravindran Nair; Cordoyiannis, George; Thoen, Jan; Leys, Jan; Glorieux, Christ Temperature-driven mixing-demixing behavior of binary mixtures of the ionic liquid choline bis(trifluoromethylsulfonyl)imide and water. The journal of physical chemistry. B, 2009, 113, 1429-1437 |
| 1516476 | CIF | C32 H62 Lu2 N2 O2 Si2 | P n a 21 | 19.256; 10.164; 18.218 90; 90; 90 | 3565.6 | Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene Macromolecules, 2014, 47, 3567 |
| 1516557 | CIF | C18 H24 B Mn N2 O2 | P n a 21 | 21.1662; 7.9276; 21.8218 90; 90; 90 | 3661.6 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
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